Chemical Properties of lusitanine (CAS 5121-36-8)

InChI

InChI=1S/C12H20N2O/c1-10(15)13-9-11-5-4-8-14-7-3-2-6-12(11)14/h9,12H,2-8H2,1H3,(H,13,15)/b11-9+

InChI Key

XKKRQPPGOROKBD-PKNBQFBNSA-N

Formula

C12H20N2O

SMILES

CC(=O)NC=C1CCCN2CCCCC12

Molecular Weight¹

208.30

CAS

5121-36-8

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.63		Crippen Calculated Property
logPoct/wat	1.655		Crippen Calculated Property
McVol	175.450	ml/mol	McGowan Calculated Property
Inp	[1875.00; 1885.00]
Inp	1880.00		NIST
Inp	1880.00		NIST
Inp	1875.00		NIST
Inp	1885.00		NIST
Inp	1880.00		NIST
Inp	1880.00		NIST
Inp	1875.00		NIST
Inp	1880.00		NIST
Inp	1880.00		NIST

Similar Compounds

Find more compounds similar to lusitanine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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